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1.alpha.,3.beta.,25-Triacetoxy-21-nor-cholest-5-ene
SpectraBase Compound ID 7SXj1HNNQiz
InChI InChI=1S/C32H50O6/c1-20(33)36-25-18-24-11-13-26-27-14-12-23(10-8-9-16-30(4,5)38-22(3)35)31(27,6)17-15-28(26)32(24,7)29(19-25)37-21(2)34/h11,23,25-29H,8-10,12-19H2,1-7H3/t23-,25+,26-,27-,28-,29-,31+,32-/m0/s1
InChIKey QCWYWKIHIVUHSW-MFQBBSICSA-N
Mol Weight 530.7 g/mol
Molecular Formula C32H50O6
Exact Mass 530.360739 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ha7ay1Jh4hs
Name 1.alpha.,3.beta.,25-Triacetoxy-21-nor-cholest-5-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H50O6
InChI InChI=1S/C32H50O6/c1-20(33)36-25-18-24-11-13-26-27-14-12-23(10-8-9-16-30(4,5)38-22(3)35)31(27,6)17-15-28(26)32(24,7)29(19-25)37-21(2)34/h11,23,25-29H,8-10,12-19H2,1-7H3/t23-,25+,26-,27-,28-,29-,31+,32-/m0/s1
InChIKey QCWYWKIHIVUHSW-MFQBBSICSA-N
Molecular Weight 530.746 g/mol
SMILES [C@]1(C[C@@]([C@]2(C(C1)=CC[C@]1([C@@]3(CC[C@](CCCCC(C)(C)OC(=O)C)([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-014i-2911100000-b234c67d98127b62177e
Source of Spectrum Y4-84-110-11
Synonyms 6-[(1S,2R,3S,5R,10S,11S,14S,15R)-3,5-bis(acetyloxy)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-14-yl]-2-methylhexan-2-yl acetate
Wiley ID 1550044